Geometry & MOs

Info

ID:

110376

PubChem CID:

50322558

Reduced:

F2O4N5C37H37 (1)

Stoich.:

A2B4C5D37E37 (1)

Weight, g/mol:

657.256289

ΔHf, kcal/mol:

-182.85

Dipole, Da:

6.08

IP(EA), eV:

 -8.91(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(2,5-difluorophenyl)carbamoyl]phenyl]-1-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations